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urea; cis,trans urea; trans,trans

urea; trans,trans



General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

General
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C,N,O,S or H 9941 1828    
any polar X-H (X= N,O or S) 4938 599  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

C,H only
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any alkyl C-H 4995 491  
methylene 1998 123  
methyl 1998 189  
any aromatic C-H 4989 174  
substituted aromatic carbon 422 15  
phenyl 976 27  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

N-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any NH 3493 202  
any uncharged NH 3271 *  
any cationic NH 109 *  
aromatic cationic N-H 59 *  
amide NH 1665 94
uncharged C(sp2)/C(ar)-NH2 15 *  
cationic RNH3 18 18
cationic R3NH 3 *  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

O-H
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any OH 1445 397  
alcohol OH 213 17
phenol OH 18 85  
water 548 295
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid


Other N or O
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
aromatic or sp2 N 318 1  
cyano 100    
pyramidal R3N 4 *  
uncharged planar R3N 36    
cationic planar R3N 8    
any terminal O 4963 390  
any C=O 3537 390
amide C=O 1665 159
ester C=O 61    
carboxylate 254 242
aliphatic ether 42    
linking O in esters 20    
aromatic O 3    
sulfoxide/sulfone O 173    
nitro 385 *  
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Sulfur
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any S 815 22  
any C=S 24    
aliphatic thioether 4 22  
aromatic S 37    
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Halo/Halide
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
any C-F 471    
any C-Cl 161    
any C-Br 39    
any C-I 29    
chloride ion 277    
bromide ion 104    
iodide ion 47    
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/Halide| Alkali Metal| Amino acid

Alkali Metal
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
lithium ion        
sodium ion 1    
potassium ion 62    
rubidium ion        
cesuim ion        
* This search has not been done.

General| C,H only| N-H| O-H| Other N or O| Sulfur| Halo/halide| Alkali Metal| Amino acid

Amino acid
 Links to statistical data  Links to theoretical energy data
Contact Group CSD PDB Stats Theory
CONH2 37 29  
imidazole * 33  
guanidinium * 12    
* This search has not been done.




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